5-amino-3-chloro-N-ethyl-2-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide

C13H18ClFN2O3S — CID 61434039

IUPAC5-amino-3-chloro-N-ethyl-2-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESCCN(CC1CCCO1)S(=O)(=O)c1cc(N)cc(Cl)c1F
InChIInChI=1S/C13H18ClFN2O3S/c1-2-17(8-10-4-3-5-20-10)21(18,19)12-7-9(16)6-11(14)13(12)15/h6-7,10H,2-5,8,16H2,1H3
InChIKeyCLRVEAYQQJASCH-UHFFFAOYSA-N
MW336.82 g/mol
LogP2.25
Rot. Bonds5

About 5-amino-3-chloro-N-ethyl-2-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide

5-amino-3-chloro-N-ethyl-2-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide (PubChem CID 61434039) has the molecular formula C13H18ClFN2O3S and a molecular weight of 336.82 g/mol. Its IUPAC name is 5-amino-3-chloro-N-ethyl-2-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-3-chloro-N-ethyl-2-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide
PubChem CID61434039
Molecular FormulaC13H18ClFN2O3S
Molecular Weight336.82 g/mol
Exact Mass336.07
IUPAC Name5-amino-3-chloro-N-ethyl-2-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESCCN(CC1CCCO1)S(=O)(=O)c1cc(N)cc(Cl)c1F
InChIInChI=1S/C13H18ClFN2O3S/c1-2-17(8-10-4-3-5-20-10)21(18,19)12-7-9(16)6-11(14)13(12)15/h6-7,10H,2-5,8,16H2,1H3
InChIKeyCLRVEAYQQJASCH-UHFFFAOYSA-N
XLogP2.25
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-amino-3-chloro-N-ethyl-2-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Chloro-4-fluoro-5-pyrrolidin-1-ylsulfonylaniline
CID 43256821
3-Chloro-4-fluoro-5-morpholin-4-ylsulfonylaniline
CID 43256882
5-amino-3-chloro-2-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 43256953
3-Chloro-5-(2,6-dimethylmorpholin-4-yl)sulfonyl-4-fluoroaniline
CID 43257068
3-Chloro-4-fluoro-5-(2-methylmorpholin-4-yl)sulfonylaniline
CID 43257110
5-amino-3-chloro-2-fluoro-N,N-dipropylbenzenesulfonamide
CID 43257210
5-amino-3-chloro-2-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 43257243
5-amino-3-chloro-2-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 43257747
5-amino-3-chloro-N-(3-ethoxypropyl)-2-fluorobenzenesulfonamide
CID 43257901
5-amino-N-butyl-3-chloro-2-fluoro-N-methylbenzenesulfonamide
CID 43258015
5-amino-N-butyl-3-chloro-N-ethyl-2-fluorobenzenesulfonamide
CID 43258029
5-amino-3-chloro-2-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 43258188

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-N-ethyl-2-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 5-amino-3-chloro-N-ethyl-2-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide (CID 61434039) is 5-amino-3-chloro-N-ethyl-2-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-3-chloro-N-ethyl-2-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 5-amino-3-chloro-N-ethyl-2-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide is CCN(CC1CCCO1)S(=O)(=O)c1cc(N)cc(Cl)c1F.
What is the InChIKey of 5-amino-3-chloro-N-ethyl-2-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The InChIKey is CLRVEAYQQJASCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2O3S/c1-2-17(8-10-4-3-5-20-10)21(18,19)12-7-9(16)6-11(14)13(12)15/h6-7,10H,2-5,8,16H2,1H3.
What are the key properties of 5-amino-3-chloro-N-ethyl-2-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide?
5-amino-3-chloro-N-ethyl-2-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide has a molecular weight of 336.82 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-N-ethyl-2-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 61434039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).